SCHEMBL574102

SCHEMBL574102

CC(C)(C)OC(=O)N(N)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.36
GAA P10253 1/20 0.35
EPHX1 P07099 3/20 0.34
HSD11B1 P28845 1/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
DPP4 P27487 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL871258 0.98 GAA (0.37) BTKGAAEPHX1HSD11B1HPGD
SCHEMBL9964560 0.98 BTK (0.37) BTKGAAEPHX1HSD11B1HPGD
SCHEMBL4367475 0.92 CHRM2 (0.34) BTKGAAHSD11B1HPGDCHRM2
SCHEMBL15021681 0.84 SLC6A4 (0.32) HSD11B1CHRM2CHRM1CHRM3
SCHEMBL1783229 0.84 USP2 (0.39) HSD11B1CHRM2CHRM1CHRM3
SCHEMBL6262075 0.82 BTK (0.39) BTKHSD11B1
SCHEMBL27873293 0.82 CYP2D6 (0.38) BTK
SCHEMBL6424027 0.81 PLG (0.38) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL3300669 0.81 BTK (0.38) BTKGAAHSD11B1HPGD
SCHEMBL18078630 0.81 SMN1; SMN2 (0.35) EPHX1HSD11B1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419532-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-08-28 EP disclosed
WO-2023066825-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-27 WO disclosed
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
WO-2012019015-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-02-09 WO disclosed
EP-2146716-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2010-01-27 EP disclosed
EP-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 EP disclosed
WO-2008131227-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 WO disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
US-7241763-B2 3-furanyl analogs of toxoflavine as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
EP-1523485-B1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-14 EP disclosed
US-20060040943-A1 3-Furanyl analogs of toxoflavine as kinase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-23 US disclosed
EP-1523485-A1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-20 EP disclosed
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US disclosed
WO-2004007499-A1 3-FURANYL ANALOGS OF TOXOFLAVINE AS KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-01-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 BTK 492/4885GAA 4704/4885EPHX1 2770/4885
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD BTK 695/4885GAA 1503/4885EPHX1 1769/4885
US-20060040943-A1 3-Furanyl analogs of toxoflavine as kinase inhibitors GRK3, GRK4, GRK6 BTK 2525/4885GAA 4821/4885EPHX1 386/4885
US-20040204454-A1 Lactam-containing cyclic diamines and derivatives as factor Xa inhibitors PEPD, TFPI, F2 BTK 710/4885GAA 983/4885EPHX1 2522/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.